(4-nitrophenyl)methyl 1-methyl-3,7-bis(oxidanylidene)-6-[(phenylmethyl)amino]-1-azoniabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-methyl-3,7-bis(oxidanylidene)-6-[(phenylmethyl)amino]-1-azoniabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 6-(benzylamino)-1-methyl-3,7-dioxo-1-azoniabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 1-methyl-3,7-dioxo-6-[(phenylmethyl)amino]-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-(benzylamino)-1-methyl-3,7-dioxo-1-azoniabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-(benzylamino)-3,7-diketo-1-methyl-1-azoniabicyclo[3.2.0]heptane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C22H22N3O6+ MolecularWeight: 424.42658

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12C(CC(=O)C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(C2=O)NCC4=CC=CC=C4

Isomeric SMILES

C[N+]12C(CC(=O)C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(C2=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H22N3O6/c1-25-17(19(21(25)27)23-12-14-5-3-2-4-6-14)11-18(26)20(25)22(28)31-13-15-7-9-16(10-8-15)24(29)30/h2-10,17,19-20,23H,11-13H2,1H3/q+1